4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine

C15H18ClN3 — CID 43741094

IUPAC4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccccn1
InChIInChI=1S/C15H18ClN3/c1-11(13-6-4-5-9-17-13)18-14-10-12(16)7-8-15(14)19(2)3/h4-11,18H,1-3H3
InChIKeyFDUXULRQKCFSER-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine

4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine (PubChem CID 43741094) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
PubChem CID43741094
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccccn1
InChIInChI=1S/C15H18ClN3/c1-11(13-6-4-5-9-17-13)18-14-10-12(16)7-8-15(14)19(2)3/h4-11,18H,1-3H3
InChIKeyFDUXULRQKCFSER-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline
CID 60934913
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741030
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
CID 43750131
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine (CID 43741094) is 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine is CC(Nc1cc(Cl)ccc1N(C)C)c1ccccn1.
What is the InChIKey of 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
The InChIKey is FDUXULRQKCFSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(13-6-4-5-9-17-13)18-14-10-12(16)7-8-15(14)19(2)3/h4-11,18H,1-3H3.
What are the key properties of 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine has a molecular weight of 275.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 43741094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).